N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]hexan-1-amine

C18H32N4 — CID 13345125

IUPACN-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]hexan-1-amine
SMILESCCCCCCNCC(C)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H32N4/c1-3-4-5-7-10-19-16-17(2)21-12-14-22(15-13-21)18-9-6-8-11-20-18/h6,8-9,11,17,19H,3-5,7,10,12-16H2,1-2H3
InChIKeyILJZMXQZSBPCEW-UHFFFAOYSA-N
MW304.48 g/mol
LogP2.76
Rot. Bonds9

About N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]hexan-1-amine

N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]hexan-1-amine (PubChem CID 13345125) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]hexan-1-amine.

Molecular Properties

Compound NameN-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]hexan-1-amine
PubChem CID13345125
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC NameN-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]hexan-1-amine
SMILESCCCCCCNCC(C)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H32N4/c1-3-4-5-7-10-19-16-17(2)21-12-14-22(15-13-21)18-9-6-8-11-20-18/h6,8-9,11,17,19H,3-5,7,10,12-16H2,1-2H3
InChIKeyILJZMXQZSBPCEW-UHFFFAOYSA-N
XLogP2.76
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 62423144
N-propyl-4-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-amine
CID 62425695
2-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]propan-2-amine
CID 62423507
N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]cyclohexanamine
CID 13345115
3-(pentylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109030233
N-(2-piperidin-1-ylpropyl)octan-1-amine
CID 63452848
N-[2-(4-ethylpiperazin-1-yl)propyl]pentan-1-amine
CID 62557992
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]propyl]butan-1-amine
CID 62558359
3-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol
CID 78976730
N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]butan-2-amine
CID 55024348
N-pentyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109048339
N-methyl-1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 62749888

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]hexan-1-amine?
The IUPAC name of N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]hexan-1-amine (CID 13345125) is N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]hexan-1-amine.
What is the SMILES notation for N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]hexan-1-amine?
The canonical SMILES for N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]hexan-1-amine is CCCCCCNCC(C)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]hexan-1-amine?
The InChIKey is ILJZMXQZSBPCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4/c1-3-4-5-7-10-19-16-17(2)21-12-14-22(15-13-21)18-9-6-8-11-20-18/h6,8-9,11,17,19H,3-5,7,10,12-16H2,1-2H3.
What are the key properties of N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]hexan-1-amine?
N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]hexan-1-amine has a molecular weight of 304.48 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]hexan-1-amine is sourced from PubChem (CID 13345125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).